N-(3-Aminopropyl)-2-butene-1,4-diamine

Base Information

• Chemical Name: N-(3-Aminopropyl)-2-butene-1,4-diamine
• CAS No.: 110319-65-8
• Molecular Formula: C7H17N3
• Molecular Weight: 143.23000
• European Community (EC) Number: 267-940-3
• DSSTox Substance ID: DTXSID3070911,DTXSID701241527
• Nikkaji Number: J498.395E,J317.298H
• Wikidata: Q27120906
• Mol file: 110319-65-8.mol

Synonyms:N-(3-Aminopropyl)-2-butene-1,4-diamine;67953-03-1;EINECS 267-940-3;2-Butene-1,4-diamine, N-(3-aminopropyl)-;2-Butene-1,4-diamine, N1-(3-aminopropyl)-;trans-N-(3-aminopropyl)but-2-ene-1,4-diamine;110319-65-8;N-(3-aminopropyl)but-2-ene-1,4-diamine;DTXSID3070911;CHEBI:48008;CHEBI:48013;DTXSID701241527;(E)-N-(3-Aminopropyl)-2-butene-1,4-diamine;(2E)-N-(3-aminopropyl)but-2-ene-1,4-diamine;N-(3-aminopropyl)-1,4-diamino-trans-but-2-ene;2-Butene-1,4-diamine, N-(3-aminopropyl)-, (2E)-;Q27120906

Chemical Property of N-(3-Aminopropyl)-2-butene-1,4-diamine

Chemical Property:

• PSA: 64.07000
• LogP: 1.23120
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 143.142247555
• Heavy Atom Count: 10
• Complexity: 80.9

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CN)CNCC=CCN
• Isomeric SMILES: C(CN)CNC/C=C/CN

Technology Process of N-(3-Aminopropyl)-2-butene-1,4-diamine

There total 3 articles about N-(3-Aminopropyl)-2-butene-1,4-diamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

4-aza-1,3-bis(1,3-dibenzylhexa-2-oxo-1,3,5-triazin-5-yl)oct-6-ene (143565-71-3) → N-(3-aminopropyl)-1,4-diamino-trans-2-butene (110319-65-8,67953-03-1)

Guidance literature:

With piperidine; In methanol; at 65 ℃;

DOI:10.1021/jo00049a036

Reference yield: 62.0%

N-(3-aminopropyl)-1,4-diamino-2-butyne (110319-63-6) → N-(3-aminopropyl)-1,4-diamino-trans-2-butene (110319-65-8,67953-03-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 6h; Heating;

DOI:10.1021/jo00231a044

Reference yield:

N-(3-azidopropyl)-1,4-diamino-2-butyne (110319-62-5) → N-(3-aminopropyl)-1,4-diamino-trans-2-butene (110319-65-8,67953-03-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / triphenylphosphine, water / tetrahydrofuran / 18 h / Ambient temperature

2: 62 percent / LiAlH₄ / tetrahydrofuran / 6 h / Heating

With lithium aluminium tetrahydride; water; triphenylphosphine; In tetrahydrofuran;

DOI:10.1021/jo00231a044

upstream raw materials:

N-(3-aminopropyl)-1,4-diamino-2-butyne

4-aza-1,3-bis(1,3-dibenzylhexa-2-oxo-1,3,5-triazin-5-yl)oct-6-ene

N-(3-azidopropyl)-1,4-diamino-2-butyne

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